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Molybdenum in PDB 6cz9: The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite

Protein crystallography data

The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite, PDB code: 6cz9 was solved by N.R.Glasser, D.K.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.37 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 232.512, 86.306, 147.367, 90.00, 127.72, 90.00
R / Rfree (%) 14.2 / 16.9

Other elements in 6cz9:

The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Iron (Fe) 40 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite (pdb code 6cz9). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite, PDB code: 6cz9:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 6cz9

Go back to Molybdenum Binding Sites List in 6cz9
Molybdenum binding site 1 out of 2 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo904

b:28.3
occ:1.00
O2 A:AST905 2.4 25.1 0.6
S13 A:MGD902 2.4 24.6 1.0
S12 A:MGD903 2.4 24.5 1.0
SG A:CYS193 2.4 27.4 1.0
S12 A:MGD902 2.5 26.0 1.0
S13 A:MGD903 2.5 26.4 1.0
HB2 A:CYS193 3.2 27.1 1.0
CB A:CYS193 3.3 22.5 1.0
C13 A:MGD902 3.4 23.5 1.0
HA A:CYS193 3.4 30.7 1.0
C12 A:MGD902 3.4 24.4 1.0
C13 A:MGD903 3.4 26.0 1.0
C12 A:MGD903 3.5 25.6 1.0
HH22 A:ARG165 3.5 27.9 1.0
AS A:AST905 3.8 35.1 0.6
CA A:CYS193 3.9 25.6 1.0
O A:HOH1330 4.0 24.3 1.0
HH21 A:ARG165 4.1 27.9 1.0
NH2 A:ARG165 4.2 23.3 1.0
O A:HOH1124 4.2 23.6 1.0
HB3 A:CYS193 4.2 27.1 1.0
HD2 A:ARG374 4.4 30.4 1.0
HG21 A:THR65 4.5 28.4 1.0
C A:CYS193 4.5 24.2 1.0
O3 A:AST905 4.6 20.3 0.6
H15 A:MGD902 4.6 27.8 1.0
OE1 A:GLU730 4.6 25.0 1.0
HG23 A:THR65 4.7 28.4 1.0
C11 A:MGD902 4.7 24.5 1.0
C11 A:MGD903 4.7 25.7 1.0
C14 A:MGD902 4.7 23.3 1.0
C14 A:MGD903 4.8 26.8 1.0
O A:CYS193 4.8 27.1 1.0
HG1 A:THR65 4.9 30.2 1.0
HZ1 A:LYS724 4.9 31.7 1.0
H11 A:MGD903 4.9 30.8 1.0
HE2 A:LYS724 4.9 30.6 1.0
HB2 A:ALA194 4.9 32.7 1.0

Molybdenum binding site 2 out of 2 in 6cz9

Go back to Molybdenum Binding Sites List in 6cz9
Molybdenum binding site 2 out of 2 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo904

b:24.0
occ:1.00
S13 C:MGD902 2.3 20.5 1.0
O2 C:AST905 2.3 26.3 0.6
SG C:CYS193 2.4 24.6 1.0
S12 C:MGD903 2.4 20.3 1.0
S13 C:MGD903 2.4 20.2 1.0
S12 C:MGD902 2.5 20.4 1.0
HB2 C:CYS193 3.2 24.8 1.0
CB C:CYS193 3.3 20.7 1.0
C13 C:MGD902 3.4 19.6 1.0
HA C:CYS193 3.4 24.0 1.0
C13 C:MGD903 3.4 20.1 1.0
C12 C:MGD902 3.4 20.2 1.0
HH22 C:ARG165 3.5 24.4 1.0
C12 C:MGD903 3.5 20.0 1.0
AS C:AST905 3.8 66.9 0.6
CA C:CYS193 3.9 20.0 1.0
O C:HOH1146 4.1 23.7 1.0
NH2 C:ARG165 4.1 20.4 1.0
HH21 C:ARG165 4.1 24.4 1.0
HB3 C:CYS193 4.2 24.8 1.0
O C:HOH1196 4.2 22.8 1.0
HD2 C:ARG374 4.4 28.1 1.0
C C:CYS193 4.5 21.1 1.0
HG21 C:THR65 4.5 25.5 1.0
H15 C:MGD902 4.6 24.4 1.0
HG1 C:THR65 4.6 25.9 1.0
O1 C:AST905 4.6 19.2 0.6
OE1 C:GLU730 4.7 19.4 1.0
HG23 C:THR65 4.7 25.5 1.0
HZ1 C:LYS724 4.7 26.7 1.0
C14 C:MGD902 4.7 20.0 1.0
C11 C:MGD902 4.7 20.6 1.0
C11 C:MGD903 4.8 19.7 1.0
O C:CYS193 4.8 20.8 1.0
C14 C:MGD903 4.8 20.4 1.0
HE2 C:LYS724 4.9 25.4 1.0
HB2 C:ALA194 5.0 26.1 1.0

Reference:

N.R.Glasser, P.H.Oyala, T.H.Osborne, J.M.Santini, D.K.Newman. Structural and Mechanistic Analysis of the Arsenate Respiratory Reductase Provides Insight Into Environmental Arsenic Transformations. Proc. Natl. Acad. Sci. V. 115 E8614 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30104376
DOI: 10.1073/PNAS.1807984115
Page generated: Tue Dec 15 05:20:21 2020

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